2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

C13H12N4O3S3 — CID 23611468

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cs1
InChIInChI=1S/C13H12N4O3S3/c1-7-15-8(6-21-7)4-12(18)17-13-16-10-3-2-9(23(14,19)20)5-11(10)22-13/h2-3,5-6H,4H2,1H3,(H2,14,19,20)(H,16,17,18)
InChIKeyJBZPDIAHCXIIBN-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 23611468) has the molecular formula C13H12N4O3S3 and a molecular weight of 368.47 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID23611468
Molecular FormulaC13H12N4O3S3
Molecular Weight368.47 g/mol
Exact Mass368.01
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1nc(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cs1
InChIInChI=1S/C13H12N4O3S3/c1-7-15-8(6-21-7)4-12(18)17-13-16-10-3-2-9(23(14,19)20)5-11(10)22-13/h2-3,5-6H,4H2,1H3,(H2,14,19,20)(H,16,17,18)
InChIKeyJBZPDIAHCXIIBN-UHFFFAOYSA-N
XLogP1.89
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
3-(4-methylphenyl)sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide
CID 16805736
2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820226
2-[2-[(4-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820720
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670
2-phenylsulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
CID 7254675
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 16590498
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 4080204
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942245

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (CID 23611468) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is Cc1nc(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is JBZPDIAHCXIIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S3/c1-7-15-8(6-21-7)4-12(18)17-13-16-10-3-2-9(23(14,19)20)5-11(10)22-13/h2-3,5-6H,4H2,1H3,(H2,14,19,20)(H,16,17,18).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 368.47 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 23611468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).